REMARK  Name = BDB001418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.308  -1.103  -0.531  0.00  0.00    -0.264 N 
ATOM      2  C   LIG    1       -0.039   0.139  -1.234  0.00  0.00    +0.194 C 
ATOM      3  C   LIG    1       -1.085  -0.144  -2.326  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1       -0.918   0.232  -3.492  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -2.297  -0.679  -1.991  0.00  0.00    -0.283 N 
ATOM      6  H   LIG    1       -2.962  -0.612  -2.753  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1       -2.778  -0.990  -0.712  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -1.998  -1.410   0.373  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.615  -1.650   1.618  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -3.988  -1.484   1.774  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.771  -1.105   0.691  0.00  0.00    +0.016 A 
ATOM     12  I   LIG    1       -4.872  -1.833   3.620  0.00  0.00    -0.044 I 
ATOM     13  C   LIG    1       -4.169  -0.873  -0.547  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.570  -1.801   0.279  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -0.203  -2.757   0.962  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1       -0.386   1.341  -0.347  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -0.073   1.383   1.023  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -0.376   2.505   1.801  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -0.981   3.612   1.216  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -1.354   4.991   2.173  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -1.275   3.610  -0.142  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.971   2.488  -0.919  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.687  -1.637  -0.694  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.710  -0.768   0.035  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        2.910  -0.967   1.414  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.803  -0.167   2.131  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.503   0.843   1.477  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        5.598   1.833   2.359  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        4.318   1.057   0.114  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.425   0.257  -0.605  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     31  O   LIG    1        3.189  -2.242  -2.571  0.00  0.00    -0.249 OA
ATOM     32  C   LIG    1        2.068  -2.015  -2.141  0.00  0.00    +0.330 C 
BRANCH  32  33
ATOM     33  O   LIG    1        1.005  -2.170  -2.961  0.00  0.00    -0.479 OA
ATOM     34  H   LIG    1        1.390  -2.437  -3.822  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  23  32
ENDBRANCH   1  23
TORSDOF 5